#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr9 n GLY 0 N 0.00 2.37 3.76 -0.13 0.00 -1.26 -4.98 105.19 104.95 2gr9 n GLY 0 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2gr9 n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gr9 s MET 1 N -1.40 2.88 0.02 1.61 0.00 -1.26 -5.07 119.30 116.07 2gr9 s MET 1 Ca 0.47 1.67 -0.03 0.00 0.00 0.00 0.00 55.69 57.80 2gr9 s MET 1 Cb 0.27 -1.93 -0.01 0.00 0.00 0.00 0.00 34.83 33.15 2gr9 s MET 1 CO 0.28 -1.24 0.04 -1.12 0.00 0.00 0.00 175.02 172.98 2gr9 s SER 2 N -1.92 0.19 0.03 1.11 0.01 -1.26 -5.02 113.70 106.84 2gr9 s SER 2 Ca 0.74 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.56 2gr9 s SER 2 Cb -0.27 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2gr9 s SER 2 CO 0.35 -0.38 -0.07 -0.69 0.41 0.00 0.00 173.24 172.86 2gr9 s VAL 3 N -1.84 0.51 0.07 3.43 1.01 -1.22 -1.32 120.40 121.04 2gr9 s VAL 3 Ca -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2gr9 s VAL 3 Cb -0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2gr9 s VAL 3 CO -0.02 -0.31 -0.06 -0.83 0.00 0.00 0.00 175.10 173.89 2gr9 s GLY 4 N -1.34 0.62 -0.26 4.51 0.00 -0.37 -1.24 107.32 109.24 2gr9 s GLY 4 Ca -0.08 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2gr9 s GLY 4 CO 0.00 -1.20 -0.10 -1.36 0.00 0.00 0.00 173.10 170.44 2gr9 s PHE 5 N -2.88 3.15 -1.06 1.90 0.40 0.92 -0.06 117.98 120.34 2gr9 s PHE 5 Ca 0.03 -2.26 0.04 0.00 -0.60 0.00 0.00 56.93 54.14 2gr9 s PHE 5 Cb 0.00 -1.90 0.16 0.00 0.51 0.00 0.00 43.02 41.80 2gr9 s PHE 5 CO -0.04 -0.87 1.10 -0.89 0.70 0.00 0.00 175.22 175.22 2gr9 n ILE 6 N 4.46 1.64 0.00 0.64 2.08 0.79 -2.37 119.36 126.61 2gr9 n ILE 6 Ca -0.13 0.41 0.00 0.00 0.56 0.00 0.00 62.75 63.59 2gr9 n ILE 6 Cb 0.42 -1.35 0.00 0.00 -0.75 0.00 0.00 39.64 37.97 2gr9 n ILE 6 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gr9 n GLY 7 N -1.09 1.89 0.00 7.39 0.00 -1.26 -4.51 105.19 107.61 2gr9 n GLY 7 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2gr9 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 n ALA 8 N -3.00 0.00 -0.13 4.61 0.00 -1.24 -2.93 120.51 117.81 2gr9 n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gr9 n ALA 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gr9 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr9 n GLY 9 N 0.00 -0.17 0.00 0.00 0.00 -1.26 -3.66 105.19 100.10 2gr9 n GLY 9 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2gr9 n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gr9 n GLN 10 N 0.77 0.00 -0.32 1.61 1.13 -1.26 -2.67 117.38 116.64 2gr9 n GLN 10 Ca 0.00 0.26 0.31 0.00 -1.94 0.00 0.00 57.00 55.63 2gr9 n GLN 10 Cb 0.00 -1.01 0.55 0.00 0.11 0.00 0.00 30.24 29.89 2gr9 n GLN 10 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2gr9 n LEU 11 N -1.28 0.28 0.21 1.08 0.00 -1.26 0.49 117.00 116.53 2gr9 n LEU 11 Ca 0.00 1.43 -0.08 0.00 0.00 0.00 0.00 56.01 57.36 2gr9 n LEU 11 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 43.42 42.68 2gr9 n LEU 11 CO 0.00 -1.59 0.42 0.00 0.00 0.00 0.00 177.39 176.22 2gr9 h ALA 12 N 1.70 -0.96 -0.97 1.96 0.00 -1.67 -1.95 119.26 117.38 2gr9 h ALA 12 Ca 0.77 -0.12 0.28 0.00 0.00 0.00 0.00 54.91 55.84 2gr9 h ALA 12 Cb 2.17 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 20.03 2gr9 h ALA 12 CO -0.62 -0.92 0.49 0.35 0.00 0.00 0.00 179.25 178.56 2gr9 h PHE 13 N -0.64 0.81 0.01 0.00 3.57 0.26 0.11 116.94 121.05 2gr9 h PHE 13 Ca -0.06 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2gr9 h PHE 13 Cb 0.42 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2gr9 h PHE 13 CO 0.09 -0.11 -0.01 0.00 -2.23 0.00 0.00 178.31 176.05 2gr9 h ALA 14 N 1.79 -0.74 -0.29 2.41 0.00 0.21 0.13 119.26 122.78 2gr9 h ALA 14 Ca 0.66 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.63 2gr9 h ALA 14 Cb 1.40 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 2gr9 h ALA 14 CO -0.58 -0.74 -0.30 -0.07 0.00 0.00 0.00 179.25 177.57 2gr9 h LEU 15 N -0.02 -0.97 -0.77 0.00 3.38 -0.68 0.65 115.31 116.91 2gr9 h LEU 15 Ca -0.00 0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.31 2gr9 h LEU 15 Cb 0.02 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 41.10 2gr9 h LEU 15 CO -0.00 -0.32 0.19 0.00 0.09 0.00 0.00 178.44 178.40 2gr9 h ALA 16 N 0.69 1.01 -0.03 1.53 0.00 -0.74 0.88 119.26 122.60 2gr9 h ALA 16 Ca 0.15 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2gr9 h ALA 16 Cb 0.52 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2gr9 h ALA 16 CO -0.45 -0.36 -0.01 -0.22 0.00 0.00 0.00 179.25 178.21 2gr9 h LYS 17 N 0.26 0.05 0.23 0.00 1.63 0.18 -2.19 116.57 116.73 2gr9 h LYS 17 Ca 0.44 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 2gr9 h LYS 17 Cb 0.78 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2gr9 h LYS 17 CO -0.54 0.40 -0.20 0.78 -3.45 0.00 0.00 179.45 176.44 2gr9 h GLY 18 N -0.30 -0.45 0.01 5.01 0.00 0.48 -2.13 103.07 105.71 2gr9 h GLY 18 Ca 0.01 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2gr9 h GLY 18 CO 0.00 -0.19 -0.37 0.74 0.00 0.00 0.00 176.54 176.72 2gr9 h PHE 19 N -0.45 -1.04 -0.03 5.60 0.05 0.72 0.33 116.94 122.12 2gr9 h PHE 19 Ca -0.01 0.05 0.03 0.00 3.82 0.00 0.00 57.97 61.86 2gr9 h PHE 19 Cb 0.41 0.49 -0.05 0.00 2.00 0.00 0.00 35.95 38.79 2gr9 h PHE 19 CO -0.14 -0.43 -0.25 1.79 -0.18 0.00 0.00 178.31 179.10 2gr9 h THR 20 N -0.41 0.42 -0.56 -1.55 1.35 -1.33 -2.47 112.91 108.36 2gr9 h THR 20 Ca 0.10 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.02 2gr9 h THR 20 Cb 0.58 0.42 -0.05 0.00 -1.73 0.00 0.00 68.15 67.37 2gr9 h THR 20 CO -0.42 0.00 0.27 0.00 -0.25 0.00 0.00 175.52 175.12 2gr9 h ALA 21 N 0.48 0.72 0.00 6.62 0.00 -0.91 0.14 119.26 126.31 2gr9 h ALA 21 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gr9 h ALA 21 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2gr9 h ALA 21 CO -0.24 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2gr9 n ALA 22 N -2.36 1.04 -2.21 0.00 0.00 0.11 -4.81 120.51 112.27 2gr9 n ALA 22 Ca 0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2gr9 n ALA 22 Cb 0.17 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2gr9 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr9 n GLY 23 N -1.42 -0.11 0.13 0.00 0.00 0.50 -4.94 105.19 99.36 2gr9 n GLY 23 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 2gr9 n GLY 23 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gr9 n VAL 24 N -3.97 1.69 0.00 1.61 0.31 -1.11 -4.99 118.33 111.86 2gr9 n VAL 24 Ca -0.15 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 2gr9 n VAL 24 Cb 0.61 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 2gr9 n VAL 24 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2gr9 n LEU 25 N -3.38 0.00 -3.64 7.52 7.94 -1.26 -5.05 117.00 119.13 2gr9 n LEU 25 Ca -0.35 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.49 2gr9 n LEU 25 Cb 1.04 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.92 2gr9 n LEU 25 CO 0.39 0.00 0.80 0.00 -1.11 0.00 0.00 177.39 177.46 2gr9 s ALA 26 N -2.32 -2.09 0.02 1.96 0.00 -1.26 -4.96 121.76 113.12 2gr9 s ALA 26 Ca 0.00 1.92 -0.05 0.00 0.00 0.00 0.00 51.96 53.83 2gr9 s ALA 26 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2gr9 s ALA 26 CO 0.00 -0.24 1.05 0.00 0.00 0.00 0.00 175.76 176.57 2gr9 n ALA 27 N 2.46 -0.10 0.27 0.00 0.00 -1.26 -0.58 120.51 121.30 2gr9 n ALA 27 Ca -0.14 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2gr9 n ALA 27 Cb 0.56 0.39 0.74 0.00 0.00 0.00 0.00 19.45 21.13 2gr9 n ALA 27 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2gr9 h HIS 28 N 0.00 0.00 -0.04 0.00 -0.00 -1.84 -2.83 115.15 110.43 2gr9 h HIS 28 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2gr9 h HIS 28 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2gr9 h HIS 28 CO -0.92 0.01 0.03 1.63 -0.00 0.00 0.00 177.93 178.68 2gr9 n LYS 29 N -4.28 1.06 -4.03 5.12 5.02 0.26 -4.50 118.16 116.81 2gr9 n LYS 29 Ca -0.03 -0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.05 2gr9 n LYS 29 Cb 0.09 -1.05 -0.09 0.00 -0.02 0.00 0.00 35.03 33.96 2gr9 n LYS 29 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2gr9 s ILE 30 N -0.16 0.18 -0.24 -0.18 1.01 -1.07 -3.38 121.20 117.35 2gr9 s ILE 30 Ca 0.02 -1.63 -0.15 0.00 0.00 0.00 0.00 60.65 58.89 2gr9 s ILE 30 Cb 0.02 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 41.02 2gr9 s ILE 30 CO 0.00 -0.82 0.60 -0.32 0.00 0.00 0.00 174.94 174.40 2gr9 s MET 31 N -3.92 0.62 -0.01 2.79 1.75 -0.37 -1.94 119.30 118.22 2gr9 s MET 31 Ca 0.09 1.04 0.03 0.00 -1.25 0.00 0.00 55.69 55.60 2gr9 s MET 31 Cb 0.07 0.13 -0.01 0.00 2.84 0.00 0.00 34.83 37.86 2gr9 s MET 31 CO -0.09 -0.14 -0.11 0.00 -0.65 0.00 0.00 175.02 174.04 2gr9 s ALA 32 N 1.33 0.89 -0.09 4.11 0.00 0.58 -0.06 121.76 128.53 2gr9 s ALA 32 Ca -0.08 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 2gr9 s ALA 32 Cb -0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2gr9 s ALA 32 CO -0.14 0.22 0.48 -1.54 0.00 0.00 0.00 175.76 174.77 2gr9 s SER 33 N -0.27 6.74 -1.16 0.00 1.04 -1.00 -2.13 113.70 116.93 2gr9 s SER 33 Ca 0.04 0.87 -0.10 0.00 0.48 0.00 0.00 55.95 57.25 2gr9 s SER 33 Cb -0.04 -2.29 0.24 0.00 0.10 0.00 0.00 66.02 64.03 2gr9 s SER 33 CO -0.00 0.07 1.33 -1.54 0.98 0.00 0.00 173.24 174.07 2gr9 n SER 34 N 3.27 5.52 -4.55 7.02 3.41 -0.35 -4.39 113.62 123.54 2gr9 n SER 34 Ca -0.08 -3.08 -0.37 0.00 -0.26 0.00 0.00 58.87 55.08 2gr9 n SER 34 Cb 0.52 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.00 2gr9 n SER 34 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2gr9 s PRO 35 N -0.46 2.54 0.00 4.33 0.02 -1.26 -3.67 135.00 136.50 2gr9 s PRO 35 Ca 0.35 0.65 0.00 0.00 0.02 0.00 0.00 61.00 62.02 2gr9 s PRO 35 Cb -0.04 -4.46 0.00 0.00 0.02 0.00 0.00 34.50 30.02 2gr9 s PRO 35 CO -0.02 -2.86 0.00 -0.25 -0.33 0.00 0.00 177.00 173.53 2gr9 n ASP 36 N 13.30 0.00 -0.25 2.53 8.00 -1.26 -4.87 116.55 133.99 2gr9 n ASP 36 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2gr9 n ASP 36 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2gr9 n ASP 36 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2gr9 n MET 37 N 0.00 0.00 -3.36 -1.24 2.81 -1.24 -5.01 117.12 109.07 2gr9 n MET 37 Ca 0.00 0.10 -0.45 0.00 -1.81 0.00 0.00 57.70 55.55 2gr9 n MET 37 Cb 0.00 -0.15 -0.01 0.00 -0.71 0.00 0.00 33.22 32.35 2gr9 n MET 37 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2gr9 s ASP 38 N 0.00 7.12 0.00 7.83 1.01 -1.26 -4.98 116.67 126.39 2gr9 s ASP 38 Ca 0.00 -3.45 0.00 0.00 0.71 0.00 0.00 52.55 49.81 2gr9 s ASP 38 Cb 0.00 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.74 2gr9 s ASP 38 CO 0.00 -0.33 0.00 0.18 0.21 0.00 0.00 175.17 175.23 2gr9 n LEU 39 N 2.89 0.00 0.00 1.23 4.77 -1.26 -0.40 117.00 124.23 2gr9 n LEU 39 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2gr9 n LEU 39 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2gr9 n LEU 39 CO 0.44 0.00 0.30 0.00 -1.33 0.00 0.00 177.39 176.80 2gr9 n ALA 40 N 0.00 0.00 -1.00 -1.18 0.00 -1.26 -0.63 120.51 116.44 2gr9 n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gr9 n ALA 40 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2gr9 n ALA 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2gr9 n THR 41 N -1.68 0.00 0.00 0.00 -1.04 0.47 -2.14 114.28 109.90 2gr9 n THR 41 Ca 0.00 0.81 0.00 0.00 -2.04 0.00 0.00 64.05 62.82 2gr9 n THR 41 Cb 0.00 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 2gr9 n THR 41 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2gr9 n VAL 42 N -0.40 0.00 -0.35 12.58 0.31 -1.19 0.12 118.33 129.40 2gr9 n VAL 42 Ca 0.00 0.85 0.37 0.00 -0.01 0.00 0.00 64.34 65.55 2gr9 n VAL 42 Cb 0.00 -1.18 0.74 0.00 -0.91 0.00 0.00 33.84 32.49 2gr9 n VAL 42 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2gr9 h SER 43 N 0.00 0.00 0.55 4.52 0.87 -1.02 0.14 113.55 118.61 2gr9 h SER 43 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2gr9 h SER 43 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2gr9 h SER 43 CO 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 176.83 176.04 2gr9 h ALA 44 N 1.28 -0.74 -0.95 6.23 0.00 0.22 -2.88 119.26 122.41 2gr9 h ALA 44 Ca 0.60 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.52 2gr9 h ALA 44 Cb 2.49 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 20.49 2gr9 h ALA 44 CO -0.01 -0.78 0.62 -0.07 0.00 0.00 0.00 179.25 179.01 2gr9 h LEU 45 N -1.01 0.48 0.51 0.00 3.38 -0.06 -1.06 115.31 117.54 2gr9 h LEU 45 Ca -0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2gr9 h LEU 45 Cb 0.64 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2gr9 h LEU 45 CO 0.12 0.17 -0.43 0.03 0.09 0.00 0.00 178.44 178.42 2gr9 h ARG 46 N 0.46 -0.90 0.00 1.13 3.08 -1.16 0.11 114.38 117.10 2gr9 h ARG 46 Ca 0.51 0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.62 2gr9 h ARG 46 Cb 1.20 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 2gr9 h ARG 46 CO -0.23 -0.60 -0.00 0.87 -1.07 0.00 0.00 179.97 178.94 2gr9 h LYS 47 N -0.93 0.00 0.24 0.04 1.57 -1.14 -2.40 116.57 113.95 2gr9 h LYS 47 Ca -0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2gr9 h LYS 47 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2gr9 h LYS 47 CO -0.02 0.00 -0.12 1.98 -0.57 0.00 0.00 179.45 180.73 2gr9 h MET 48 N 0.00 -0.31 0.00 3.15 4.05 0.18 -3.48 114.93 118.52 2gr9 h MET 48 Ca -0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2gr9 h MET 48 Cb 0.01 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2gr9 h MET 48 CO 0.00 -0.01 0.00 0.41 0.23 0.00 0.00 176.91 177.54 2gr9 n GLY 49 N -0.41 0.46 3.76 1.39 0.00 0.21 -4.91 105.19 105.69 2gr9 n GLY 49 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2gr9 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr9 s VAL 50 N -0.32 3.18 -0.23 1.61 1.01 -1.15 -2.54 120.40 121.96 2gr9 s VAL 50 Ca 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 2gr9 s VAL 50 Cb 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2gr9 s VAL 50 CO 0.00 -0.46 0.49 -0.54 0.00 0.00 0.00 175.10 174.58 2gr9 s LYS 51 N -4.69 4.12 -0.11 2.72 1.02 -0.82 -4.68 119.74 117.31 2gr9 s LYS 51 Ca 0.63 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.96 2gr9 s LYS 51 Cb -0.19 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 2gr9 s LYS 51 CO 0.53 -0.22 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.05 2gr9 s LEU 52 N 1.89 2.44 -0.00 3.17 1.43 -1.26 -0.30 118.68 126.05 2gr9 s LEU 52 Ca 0.21 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2gr9 s LEU 52 Cb -0.15 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2gr9 s LEU 52 CO 0.09 0.19 -0.08 0.28 0.23 0.00 0.00 176.35 177.05 2gr9 s THR 53 N 0.21 0.66 0.33 5.49 -1.32 -0.90 -4.92 115.64 115.18 2gr9 s THR 53 Ca -0.11 -0.39 0.38 0.00 -1.21 0.00 0.00 61.69 60.36 2gr9 s THR 53 Cb -0.16 -0.56 0.40 0.00 -1.51 0.00 0.00 72.50 70.67 2gr9 s THR 53 CO 0.06 0.16 2.14 1.55 -2.21 0.00 0.00 174.62 176.33 2gr9 h PRO 54 N 5.87 0.00 -4.32 7.08 0.13 -1.90 -0.93 132.00 137.93 2gr9 h PRO 54 Ca -0.30 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.09 2gr9 h PRO 54 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2gr9 h PRO 54 CO 0.49 0.00 -0.09 -1.01 -0.23 0.00 0.00 178.00 177.16 2gr9 s HIS 55 N -3.87 3.15 0.00 1.56 3.76 -1.26 -4.57 115.29 114.06 2gr9 s HIS 55 Ca -0.02 -1.16 -0.01 0.00 -0.15 0.00 0.00 55.06 53.72 2gr9 s HIS 55 Cb 0.11 -3.88 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 2gr9 s HIS 55 CO 0.45 -1.13 1.24 0.27 -0.85 0.00 0.00 174.74 174.73 2gr9 n ASN 56 N 5.67 2.50 0.03 1.40 6.94 -1.26 -1.73 115.26 128.80 2gr9 n ASN 56 Ca -0.12 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 2gr9 n ASN 56 Cb 0.41 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 2gr9 n ASN 56 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2gr9 n LYS 57 N 2.06 0.00 0.20 -3.83 5.02 -1.26 -4.41 118.16 115.93 2gr9 n LYS 57 Ca 0.06 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.50 2gr9 n LYS 57 Cb 0.29 -0.38 0.78 0.00 -0.02 0.00 0.00 35.03 35.70 2gr9 n LYS 57 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2gr9 h GLU 58 N 0.00 0.00 -0.17 1.97 5.08 -1.75 0.51 114.58 120.22 2gr9 h GLU 58 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2gr9 h GLU 58 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2gr9 h GLU 58 CO 0.00 0.00 0.08 1.15 -1.00 0.00 0.00 179.01 179.24 2gr9 h THR 59 N 0.00 1.12 -0.25 1.13 2.02 -1.80 0.19 112.91 115.32 2gr9 h THR 59 Ca 0.08 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 2gr9 h THR 59 Cb 0.37 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2gr9 h THR 59 CO -0.00 0.11 -0.07 0.58 0.37 0.00 0.00 175.52 176.51 2gr9 h VAL 60 N 0.15 1.19 -0.00 3.16 2.07 -0.25 -1.69 116.25 120.89 2gr9 h VAL 60 Ca 0.06 -0.79 -0.24 0.00 0.82 0.00 0.00 66.70 66.55 2gr9 h VAL 60 Cb 0.10 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2gr9 h VAL 60 CO -0.01 0.26 -0.97 1.56 0.02 0.00 0.00 177.57 178.43 2gr9 h GLN 61 N 0.37 0.50 0.00 1.57 4.20 -0.97 -3.21 115.11 117.58 2gr9 h GLN 61 Ca 0.08 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2gr9 h GLN 61 Cb 0.36 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2gr9 h GLN 61 CO 0.02 1.17 0.00 1.58 -0.67 0.00 0.00 178.83 180.93 2gr9 n HIS 62 N -3.78 0.00 -4.61 2.96 -0.00 0.63 -4.85 115.22 105.56 2gr9 n HIS 62 Ca -0.08 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.79 2gr9 n HIS 62 Cb 0.85 -0.41 -0.12 0.00 -0.12 0.00 0.00 29.99 30.19 2gr9 n HIS 62 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2gr9 s SER 63 N -2.81 4.09 -0.19 0.26 1.04 -0.68 -4.53 113.70 110.88 2gr9 s SER 63 Ca 0.16 -0.31 0.14 0.00 0.48 0.00 0.00 55.95 56.42 2gr9 s SER 63 Cb 0.15 -0.79 -0.24 0.00 0.10 0.00 0.00 66.02 65.25 2gr9 s SER 63 CO 0.39 0.27 0.10 0.47 0.98 0.00 0.00 173.24 175.46 2gr9 n ASP 64 N 1.61 0.45 -4.03 7.02 8.00 -0.44 -4.73 116.55 124.42 2gr9 n ASP 64 Ca -0.16 0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.07 2gr9 n ASP 64 Cb 0.52 0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 42.08 2gr9 n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gr9 s VAL 65 N -2.51 1.69 -0.18 2.53 1.01 -0.81 -2.36 120.40 119.77 2gr9 s VAL 65 Ca -0.13 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 2gr9 s VAL 65 Cb 0.07 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2gr9 s VAL 65 CO 0.79 0.39 0.02 -0.22 0.00 0.00 0.00 175.10 176.09 2gr9 s LEU 66 N 1.42 3.53 -0.19 3.92 2.96 -0.21 -1.23 118.68 128.88 2gr9 s LEU 66 Ca 0.03 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 2gr9 s LEU 66 Cb -0.14 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2gr9 s LEU 66 CO -0.10 0.14 0.02 -0.36 -1.32 0.00 0.00 176.35 174.73 2gr9 s PHE 67 N 0.54 3.11 -0.60 5.38 0.40 0.91 0.22 117.98 127.93 2gr9 s PHE 67 Ca 0.01 -0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 55.93 2gr9 s PHE 67 Cb -0.13 -2.07 0.12 0.00 0.51 0.00 0.00 43.02 41.44 2gr9 s PHE 67 CO 0.02 -0.07 0.66 -0.51 0.70 0.00 0.00 175.22 176.02 2gr9 s LEU 68 N 0.72 5.69 -0.63 -0.37 1.43 0.36 -0.15 118.68 125.72 2gr9 s LEU 68 Ca 0.01 -1.62 0.04 0.00 -1.03 0.00 0.00 54.13 51.53 2gr9 s LEU 68 Cb -0.14 -2.27 0.34 0.00 0.03 0.00 0.00 46.19 44.15 2gr9 s LEU 68 CO 0.02 -1.01 1.07 0.00 0.23 0.00 0.00 176.35 176.66 2gr9 n ALA 69 N 5.90 4.89 -2.35 4.21 0.00 -1.26 -0.92 120.51 130.97 2gr9 n ALA 69 Ca -0.09 -4.68 -0.18 0.00 0.00 0.00 0.00 53.44 48.49 2gr9 n ALA 69 Cb 0.42 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 2gr9 n ALA 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gr9 s VAL 70 N -4.51 1.36 0.46 0.00 -7.23 -1.26 -3.63 120.40 105.59 2gr9 s VAL 70 Ca 0.48 -2.09 -0.22 0.00 -1.81 0.00 0.00 61.98 58.34 2gr9 s VAL 70 Cb 0.27 -2.26 -0.11 0.00 0.56 0.00 0.00 36.38 34.84 2gr9 s VAL 70 CO -0.14 -0.42 0.64 0.29 -0.31 0.00 0.00 175.10 175.16 2gr9 n LYS 71 N -0.44 0.71 -0.24 4.82 5.02 -1.26 -4.60 118.16 122.17 2gr9 n LYS 71 Ca -0.06 0.26 0.04 0.00 -2.02 0.00 0.00 58.31 56.53 2gr9 n LYS 71 Cb 0.63 -1.67 0.17 0.00 -0.02 0.00 0.00 35.03 34.14 2gr9 n LYS 71 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2gr9 h PRO 72 N 0.82 0.34 0.00 1.97 0.11 -1.95 -1.42 132.00 131.86 2gr9 h PRO 72 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2gr9 h PRO 72 Cb 1.39 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2gr9 h PRO 72 CO 0.52 0.22 0.00 1.12 -0.21 0.00 0.00 178.00 179.65 2gr9 h HIS 73 N 0.35 0.00 0.05 0.65 2.07 -1.93 -3.13 115.15 113.22 2gr9 h HIS 73 Ca 0.39 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.66 2gr9 h HIS 73 Cb 0.62 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.60 2gr9 h HIS 73 CO -0.21 0.00 -1.07 0.82 -3.07 0.00 0.00 177.93 174.40 2gr9 h ILE 74 N 0.00 1.41 -0.77 6.12 2.04 -1.59 -3.36 117.51 121.37 2gr9 h ILE 74 Ca 0.00 -2.63 0.12 0.00 1.00 0.00 0.00 64.86 63.35 2gr9 h ILE 74 Cb 0.55 2.61 -0.12 0.00 -0.74 0.00 0.00 36.82 39.11 2gr9 h ILE 74 CO 0.00 0.78 -0.31 -0.38 0.00 0.00 0.00 178.15 178.24 2gr9 n ILE 75 N -3.69 -0.41 -0.08 -0.67 -0.00 -1.16 -0.31 119.36 113.03 2gr9 n ILE 75 Ca -0.08 1.80 -0.07 0.00 -0.00 0.00 0.00 62.75 64.40 2gr9 n ILE 75 Cb 0.91 -2.37 -0.01 0.00 -0.00 0.00 0.00 39.64 38.17 2gr9 n ILE 75 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 2gr9 h PRO 76 N 0.00 -0.20 0.00 0.38 0.11 -1.79 0.31 132.00 130.81 2gr9 h PRO 76 Ca 0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2gr9 h PRO 76 Cb 0.45 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2gr9 h PRO 76 CO -0.76 -0.13 0.00 1.19 -0.21 0.00 0.00 178.00 178.09 2gr9 n PHE 77 N -5.38 0.00 0.03 0.65 3.01 0.58 -2.51 117.46 113.84 2gr9 n PHE 77 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2gr9 n PHE 77 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 2gr9 n PHE 77 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2gr9 n ILE 78 N -0.50 0.65 -0.32 4.37 2.08 0.97 -4.55 119.36 122.06 2gr9 n ILE 78 Ca 0.00 0.21 0.29 0.00 0.56 0.00 0.00 62.75 63.81 2gr9 n ILE 78 Cb 0.00 -1.48 0.62 0.00 -0.75 0.00 0.00 39.64 38.03 2gr9 n ILE 78 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2gr9 h LEU 79 N 0.00 0.24 -2.93 1.39 3.38 -0.89 1.04 115.31 117.55 2gr9 h LEU 79 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2gr9 h LEU 79 Cb 0.42 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2gr9 h LEU 79 CO 0.00 0.04 0.00 0.47 0.09 0.00 0.00 178.44 179.04 2gr9 n ASP 80 N -4.44 4.57 0.00 -0.43 8.00 -1.10 -0.30 116.55 122.85 2gr9 n ASP 80 Ca 0.26 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 53.14 2gr9 n ASP 80 Cb 1.05 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2gr9 n ASP 80 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2gr9 n GLU 81 N 0.66 3.07 -0.00 -1.24 0.00 0.32 -4.80 120.64 118.64 2gr9 n GLU 81 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.38 2gr9 n GLU 81 Cb 0.93 -0.68 -0.00 0.00 0.00 0.00 0.00 31.44 31.69 2gr9 n GLU 81 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2gr9 n ILE 82 N -0.71 0.01 -0.33 6.31 2.08 0.12 -4.73 119.36 122.11 2gr9 n ILE 82 Ca 0.00 -0.01 0.20 0.00 0.56 0.00 0.00 62.75 63.50 2gr9 n ILE 82 Cb 0.00 -0.59 0.38 0.00 -0.75 0.00 0.00 39.64 38.68 2gr9 n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gr9 n GLY 83 N 2.85 -1.12 0.36 7.39 0.00 0.59 0.20 105.19 115.47 2gr9 n GLY 83 Ca -0.00 0.90 0.03 0.00 0.00 0.00 0.00 46.02 46.94 2gr9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 h ALA 84 N 1.94 1.38 -0.22 4.61 0.00 -1.85 -1.26 119.26 123.87 2gr9 h ALA 84 Ca 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2gr9 h ALA 84 Cb 1.54 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gr9 h ALA 84 CO -0.86 0.41 0.00 -0.25 0.00 0.00 0.00 179.25 178.55 2gr9 n ASP 85 N -4.52 2.28 -4.39 0.00 10.43 0.55 -4.77 116.55 116.13 2gr9 n ASP 85 Ca 0.15 -2.23 -0.45 0.00 2.57 0.00 0.00 54.79 54.83 2gr9 n ASP 85 Cb 0.20 -0.45 -0.03 0.00 1.84 0.00 0.00 41.12 42.67 2gr9 n ASP 85 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2gr9 s ILE 86 N -1.62 5.05 0.00 0.53 1.01 -0.48 -4.79 121.20 120.90 2gr9 s ILE 86 Ca 0.18 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 59.14 2gr9 s ILE 86 Cb 0.13 -4.59 0.00 0.00 0.01 0.00 0.00 42.46 38.01 2gr9 s ILE 86 CO 0.07 -1.23 0.00 -0.62 0.00 0.00 0.00 174.94 173.16 2gr9 n GLU 87 N 5.62 -0.08 -0.09 2.79 1.02 -1.26 -4.95 120.64 123.69 2gr9 n GLU 87 Ca 0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.15 2gr9 n GLU 87 Cb 0.46 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.74 2gr9 n GLU 87 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2gr9 n ASP 88 N -1.40 0.58 -0.25 1.62 -0.08 -1.26 -4.53 116.55 111.23 2gr9 n ASP 88 Ca 0.00 -0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 2gr9 n ASP 88 Cb 0.00 0.94 0.14 0.00 2.34 0.00 0.00 41.12 44.54 2gr9 n ASP 88 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2gr9 h ARG 89 N 0.00 0.07 -6.91 -0.67 0.11 -1.94 -3.43 114.38 101.61 2gr9 h ARG 89 Ca -0.49 -0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.10 2gr9 h ARG 89 Cb 2.10 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 33.17 2gr9 h ARG 89 CO 0.03 0.05 0.18 -3.38 0.10 0.00 0.00 179.97 176.95 2gr9 s HIS 90 N -6.14 3.43 -0.10 4.08 -3.43 -1.25 -4.98 115.29 106.90 2gr9 s HIS 90 Ca -0.14 1.21 -0.04 0.00 -0.80 0.00 0.00 55.06 55.30 2gr9 s HIS 90 Cb 0.22 -2.57 -0.04 0.00 -1.43 0.00 0.00 32.58 28.77 2gr9 s HIS 90 CO 0.75 -0.12 0.06 0.42 -2.00 0.00 0.00 174.74 173.85 2gr9 s ILE 91 N -2.33 4.80 -0.27 -5.38 1.09 -1.00 -4.60 121.20 113.51 2gr9 s ILE 91 Ca 0.54 -0.06 -0.06 0.00 -1.10 0.00 0.00 60.65 59.97 2gr9 s ILE 91 Cb -0.10 -3.05 -0.00 0.00 -1.06 0.00 0.00 42.46 38.24 2gr9 s ILE 91 CO 0.27 0.61 0.05 -0.69 -0.10 0.00 0.00 174.94 175.08 2gr9 s VAL 92 N -0.92 3.86 -0.30 2.92 1.01 0.98 -1.04 120.40 126.91 2gr9 s VAL 92 Ca 0.14 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2gr9 s VAL 92 Cb -0.12 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2gr9 s VAL 92 CO 0.03 0.21 0.09 -0.69 0.00 0.00 0.00 175.10 174.74 2gr9 s VAL 93 N 1.51 4.01 -0.27 2.92 1.01 0.13 -0.67 120.40 129.03 2gr9 s VAL 93 Ca 0.04 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 2gr9 s VAL 93 Cb -0.16 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2gr9 s VAL 93 CO 0.01 0.04 0.42 -0.55 0.00 0.00 0.00 175.10 175.02 2gr9 s SER 94 N 1.50 6.30 0.00 3.32 0.15 -0.62 -0.49 113.70 123.86 2gr9 s SER 94 Ca 0.02 0.31 0.22 0.00 0.70 0.00 0.00 55.95 57.20 2gr9 s SER 94 Cb -0.17 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2gr9 s SER 94 CO 0.03 -0.23 1.04 0.00 1.20 0.00 0.00 173.24 175.27 2gr9 n ALA 96 N -0.24 -0.21 -1.78 0.00 0.00 -1.10 -4.74 120.51 112.44 2gr9 n ALA 96 Ca 0.08 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 2gr9 n ALA 96 Cb 0.44 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 2gr9 n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gr9 s ALA 97 N -1.28 3.14 0.00 0.00 0.00 -1.26 -4.08 121.76 118.28 2gr9 s ALA 97 Ca 0.63 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2gr9 s ALA 97 Cb -0.59 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2gr9 s ALA 97 CO 0.57 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2gr9 n GLY 98 N 0.35 0.49 3.56 0.00 0.00 -1.26 -4.75 105.19 103.58 2gr9 n GLY 98 Ca 0.04 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.50 2gr9 n GLY 98 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gr9 n VAL 99 N 0.00 0.23 -2.35 1.61 0.31 -1.26 -4.82 118.33 112.06 2gr9 n VAL 99 Ca 0.00 -0.12 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 2gr9 n VAL 99 Cb 0.00 -1.28 -0.01 0.00 -0.91 0.00 0.00 33.84 31.64 2gr9 n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2gr9 s THR 100 N 5.19 3.34 0.10 2.52 2.01 -1.26 -4.96 115.64 122.58 2gr9 s THR 100 Ca 1.05 0.87 -0.21 0.00 0.31 0.00 0.00 61.69 63.71 2gr9 s THR 100 Cb -1.06 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 2gr9 s THR 100 CO 0.60 -0.14 1.73 0.40 -0.69 0.00 0.00 174.62 176.52 2gr9 h ILE 101 N 1.45 1.06 0.00 1.82 2.04 -1.98 -2.91 117.51 118.99 2gr9 h ILE 101 Ca -0.50 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2gr9 h ILE 101 Cb 1.25 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2gr9 h ILE 101 CO 0.58 0.06 0.00 -0.24 0.00 0.00 0.00 178.15 178.55 2gr9 n SER 102 N -4.98 0.00 -0.51 1.72 2.88 -1.26 -0.78 113.62 110.70 2gr9 n SER 102 Ca -0.05 0.72 0.41 0.00 -1.33 0.00 0.00 58.87 58.63 2gr9 n SER 102 Cb 0.05 -0.22 0.63 0.00 -0.75 0.00 0.00 64.21 63.92 2gr9 n SER 102 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2gr9 n SER 103 N -1.65 0.00 -0.07 -3.46 3.41 -1.21 0.24 113.62 110.87 2gr9 n SER 103 Ca 0.00 0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 59.30 2gr9 n SER 103 Cb 0.00 -0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 63.47 2gr9 n SER 103 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2gr9 h ILE 104 N 0.00 1.14 0.11 -1.33 1.08 -1.05 -3.38 117.51 114.08 2gr9 h ILE 104 Ca 0.72 -1.96 -0.00 0.00 -0.39 0.00 0.00 64.86 63.23 2gr9 h ILE 104 Cb 3.13 2.27 -0.00 0.00 -3.07 0.00 0.00 36.82 39.14 2gr9 h ILE 104 CO -0.01 0.39 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.41 2gr9 h GLU 105 N -1.00 -0.20 -3.91 2.37 5.08 0.19 -1.37 114.58 115.74 2gr9 h GLU 105 Ca -0.07 0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 2gr9 h GLU 105 Cb 0.84 0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.16 2gr9 h GLU 105 CO -0.05 -0.13 1.62 1.63 -1.00 0.00 0.00 179.01 181.09 2gr9 n LYS 106 N -2.86 0.76 0.00 2.33 5.02 -0.08 0.13 118.16 123.46 2gr9 n LYS 106 Ca -0.02 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 2gr9 n LYS 106 Cb 0.09 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 2gr9 n LYS 106 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2gr9 n LYS 107 N 5.06 0.00 -0.09 1.97 0.00 -1.20 -4.81 118.16 119.09 2gr9 n LYS 107 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.42 2gr9 n LYS 107 Cb 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.97 2gr9 n LYS 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2gr9 n LEU 108 N 0.00 0.00 0.29 3.14 7.94 0.34 -4.22 117.00 124.49 2gr9 n LEU 108 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 2gr9 n LEU 108 Cb 0.00 0.47 0.88 0.00 0.53 0.00 0.00 43.42 45.30 2gr9 n LEU 108 CO 0.00 0.47 1.08 0.77 -1.11 0.00 0.00 177.39 178.60 2gr9 h SER 109 N 0.00 0.00 0.00 1.96 4.64 -0.55 -2.00 113.55 117.59 2gr9 h SER 109 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2gr9 h SER 109 Cb 2.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.26 2gr9 h SER 109 CO 0.03 0.04 0.02 0.00 -0.87 0.00 0.00 176.83 176.04 2gr9 n ALA 110 N -2.28 1.18 -0.56 5.18 0.00 -1.26 0.17 120.51 122.95 2gr9 n ALA 110 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2gr9 n ALA 110 Cb 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2gr9 n ALA 110 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2gr9 n PHE 111 N -1.05 0.00 -3.63 0.00 3.01 -0.75 -5.06 117.46 109.97 2gr9 n PHE 111 Ca 0.00 -0.11 -0.11 0.00 1.01 0.00 0.00 57.45 58.24 2gr9 n PHE 111 Cb 0.02 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.41 2gr9 n PHE 111 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2gr9 s ARG 112 N -0.23 0.61 0.14 -1.08 6.06 0.13 -4.84 118.95 119.74 2gr9 s ARG 112 Ca 0.00 0.68 -0.23 0.00 -2.50 0.00 0.00 55.73 53.69 2gr9 s ARG 112 Cb 0.00 0.30 -0.01 0.00 0.06 0.00 0.00 34.95 35.30 2gr9 s ARG 112 CO 0.00 -0.08 1.65 -1.35 -2.50 0.00 0.00 175.30 173.02 2gr9 h PRO 113 N 4.33 -0.23 -2.49 5.12 0.11 -1.94 -3.40 132.00 133.49 2gr9 h PRO 113 Ca -0.28 0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.44 2gr9 h PRO 113 Cb 1.17 0.05 -0.36 0.00 0.11 0.00 0.00 31.00 31.97 2gr9 h PRO 113 CO 0.10 -0.15 -0.69 0.00 -0.21 0.00 0.00 178.00 177.05 2gr9 s ALA 114 N -6.11 0.00 0.27 -0.75 0.00 -1.26 -4.99 121.76 108.92 2gr9 s ALA 114 Ca -0.15 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.08 2gr9 s ALA 114 Cb 0.11 -1.53 -0.09 0.00 0.00 0.00 0.00 23.12 21.61 2gr9 s ALA 114 CO 0.67 -1.58 0.85 -1.25 0.00 0.00 0.00 175.76 174.46 2gr9 s PRO 115 N 2.25 4.49 -0.40 0.00 0.04 -1.26 -5.00 135.00 135.11 2gr9 s PRO 115 Ca 0.08 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.11 2gr9 s PRO 115 Cb -0.15 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.50 2gr9 s PRO 115 CO -0.30 0.36 0.47 1.03 0.04 0.00 0.00 177.00 178.60 2gr9 s ARG 116 N -1.89 3.27 0.01 4.56 0.52 -1.26 -4.24 118.95 119.92 2gr9 s ARG 116 Ca 0.46 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 2gr9 s ARG 116 Cb -0.19 -3.92 -0.01 0.00 0.52 0.00 0.00 34.95 31.36 2gr9 s ARG 116 CO 0.23 -0.79 -0.03 0.54 0.02 0.00 0.00 175.30 175.27 2gr9 s VAL 117 N 2.25 0.24 -0.01 3.52 0.11 -1.26 -0.01 120.40 125.23 2gr9 s VAL 117 Ca 0.14 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2gr9 s VAL 117 Cb -0.16 -0.24 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2gr9 s VAL 117 CO 0.14 -0.07 -0.09 0.27 -3.33 0.00 0.00 175.10 172.02 2gr9 s ILE 118 N -0.41 0.74 -0.19 7.04 -4.36 0.15 0.21 121.20 124.38 2gr9 s ILE 118 Ca -0.03 -0.39 -0.18 0.00 -0.26 0.00 0.00 60.65 59.80 2gr9 s ILE 118 Cb -0.03 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.01 2gr9 s ILE 118 CO -0.00 0.21 0.48 -0.60 0.24 0.00 0.00 174.94 175.27 2gr9 s ARG 119 N -0.12 4.21 0.23 0.37 3.52 0.29 -1.59 118.95 125.84 2gr9 s ARG 119 Ca 0.02 0.36 0.07 0.00 -0.13 0.00 0.00 55.73 56.06 2gr9 s ARG 119 Cb -0.05 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2gr9 s ARG 119 CO -0.00 -0.08 0.09 0.00 -0.81 0.00 0.00 175.30 174.50 2gr9 s MET 121 N -3.50 0.42 0.23 0.00 1.75 0.61 -4.49 119.30 114.33 2gr9 s MET 121 Ca 0.31 0.28 0.01 0.00 -1.25 0.00 0.00 55.69 55.04 2gr9 s MET 121 Cb -0.08 -0.25 -0.00 0.00 2.84 0.00 0.00 34.83 37.34 2gr9 s MET 121 CO 0.22 -0.94 0.02 2.41 -0.65 0.00 0.00 175.02 176.08 2gr9 n THR 122 N 5.36 0.00 -3.95 10.11 -1.04 -1.26 -1.09 114.28 122.41 2gr9 n THR 122 Ca 0.00 -1.15 -0.08 0.00 -2.04 0.00 0.00 64.05 60.78 2gr9 n THR 122 Cb 0.50 0.28 -0.08 0.00 -1.82 0.00 0.00 70.33 69.20 2gr9 n THR 122 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2gr9 s ASN 123 N -2.30 0.25 0.30 8.00 6.03 -1.26 -4.77 114.94 121.19 2gr9 s ASN 123 Ca 0.03 -0.80 0.07 0.00 -1.03 0.00 0.00 52.86 51.12 2gr9 s ASN 123 Cb 0.00 0.30 0.80 0.00 -3.03 0.00 0.00 41.25 39.32 2gr9 s ASN 123 CO 0.02 -0.70 1.72 0.71 -2.03 0.00 0.00 177.10 176.82 2gr9 h THR 124 N 2.87 0.52 0.00 0.54 1.35 -1.93 -2.59 112.91 113.66 2gr9 h THR 124 Ca -0.34 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2gr9 h THR 124 Cb 1.18 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2gr9 h THR 124 CO 0.59 0.09 0.34 -0.81 -0.25 0.00 0.00 175.52 175.48 2gr9 n PRO 125 N -4.96 0.00 0.25 4.72 -0.04 -1.26 0.12 135.00 133.84 2gr9 n PRO 125 Ca 0.24 0.20 0.18 0.00 -0.04 0.00 0.00 63.50 64.08 2gr9 n PRO 125 Cb 0.70 -1.85 0.91 0.00 -0.04 0.00 0.00 33.50 33.21 2gr9 n PRO 125 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2gr9 h VAL 126 N 0.00 0.32 0.00 0.52 3.04 -1.71 0.82 116.25 119.24 2gr9 h VAL 126 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2gr9 h VAL 126 Cb 0.68 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2gr9 h VAL 126 CO 0.00 0.00 0.08 0.52 -1.01 0.00 0.00 177.57 177.16 2gr9 n VAL 127 N -3.54 1.65 0.00 1.51 0.31 0.12 -3.81 118.33 114.56 2gr9 n VAL 127 Ca -0.00 0.51 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 2gr9 n VAL 127 Cb 0.27 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 2gr9 n VAL 127 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2gr9 n VAL 128 N -1.47 0.00 0.00 2.52 0.31 0.27 -4.35 118.33 115.62 2gr9 n VAL 128 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2gr9 n VAL 128 Cb 0.08 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2gr9 n VAL 128 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2gr9 n ARG 129 N -0.48 0.00 -0.28 5.55 0.63 -1.17 -4.85 116.66 116.06 2gr9 n ARG 129 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 2gr9 n ARG 129 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 2gr9 n ARG 129 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2gr9 n GLU 130 N 0.00 0.56 -1.26 -0.14 -0.58 -1.17 -4.25 120.64 113.79 2gr9 n GLU 130 Ca 0.00 -1.37 -0.31 0.00 -0.42 0.00 0.00 57.16 55.05 2gr9 n GLU 130 Cb 0.00 -0.80 0.10 0.00 -0.57 0.00 0.00 31.44 30.17 2gr9 n GLU 130 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2gr9 s GLY 131 N -1.34 1.78 -0.30 0.62 0.00 -1.21 -4.79 107.32 102.08 2gr9 s GLY 131 Ca 0.08 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.20 2gr9 s GLY 131 CO 0.01 0.74 -0.02 0.00 0.00 0.00 0.00 173.10 173.83 2gr9 s ALA 132 N -2.74 2.75 -0.08 3.20 0.00 -1.26 -0.87 121.76 122.75 2gr9 s ALA 132 Ca 0.63 -1.98 0.01 0.00 0.00 0.00 0.00 51.96 50.63 2gr9 s ALA 132 Cb -0.19 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 2gr9 s ALA 132 CO 0.54 -1.36 -0.11 0.99 0.00 0.00 0.00 175.76 175.81 2gr9 s THR 133 N 1.11 3.30 0.03 0.00 2.01 -0.26 -4.21 115.64 117.62 2gr9 s THR 133 Ca -0.03 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.41 2gr9 s THR 133 Cb -0.20 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 2gr9 s THR 133 CO -0.04 0.57 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.61 2gr9 s VAL 134 N -0.39 1.23 0.11 3.82 1.01 -0.25 -2.52 120.40 123.42 2gr9 s VAL 134 Ca 0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2gr9 s VAL 134 Cb -0.12 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2gr9 s VAL 134 CO 0.02 0.09 0.20 -0.72 0.00 0.00 0.00 175.10 174.69 2gr9 s TYR 135 N -0.78 0.29 -0.04 5.22 -0.85 -0.96 -0.28 117.35 119.95 2gr9 s TYR 135 Ca 0.03 -0.70 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 2gr9 s TYR 135 Cb -0.08 -0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.19 2gr9 s TYR 135 CO 0.01 -0.59 -0.01 0.00 -1.52 0.00 0.00 175.55 173.44 2gr9 s ALA 136 N -3.91 0.44 0.19 9.51 0.00 0.32 0.24 121.76 128.55 2gr9 s ALA 136 Ca 0.10 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 2gr9 s ALA 136 Cb 0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 2gr9 s ALA 136 CO -0.07 -0.07 1.20 0.95 0.00 0.00 0.00 175.76 177.76 2gr9 s THR 137 N 1.03 3.55 0.00 0.00 -4.23 -1.26 -0.55 115.64 114.18 2gr9 s THR 137 Ca -0.10 1.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 2gr9 s THR 137 Cb -0.14 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2gr9 s THR 137 CO -0.01 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2gr9 n GLY 138 N 2.12 -2.88 0.11 3.99 0.00 0.13 -4.92 105.19 103.75 2gr9 n GLY 138 Ca 0.04 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 2gr9 n GLY 138 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gr9 n THR 139 N -1.29 1.60 -1.37 2.61 -2.24 -1.26 -4.12 114.28 108.21 2gr9 n THR 139 Ca 0.00 -0.74 -0.34 0.00 -2.27 0.00 0.00 64.05 60.70 2gr9 n THR 139 Cb 0.00 -1.17 0.07 0.00 -2.10 0.00 0.00 70.33 67.13 2gr9 n THR 139 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2gr9 n HIS 140 N -3.14 3.04 -3.91 4.78 8.25 -1.26 -4.89 115.22 118.10 2gr9 n HIS 140 Ca -0.28 -2.85 -0.35 0.00 -0.26 0.00 0.00 57.72 53.98 2gr9 n HIS 140 Cb 1.06 -1.38 -0.14 0.00 1.12 0.00 0.00 29.99 30.65 2gr9 n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gr9 s ALA 141 N -3.66 2.81 0.56 -1.41 0.00 -1.26 -4.19 121.76 114.60 2gr9 s ALA 141 Ca 0.61 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 2gr9 s ALA 141 Cb 0.48 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 2gr9 s ALA 141 CO -0.06 -1.22 1.07 -0.65 0.00 0.00 0.00 175.76 174.90 2gr9 s GLN 142 N 1.27 3.42 0.00 0.00 -0.21 -1.26 -4.87 119.66 118.01 2gr9 s GLN 142 Ca -0.05 1.35 0.00 0.00 0.02 0.00 0.00 55.36 56.69 2gr9 s GLN 142 Cb -0.19 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.78 2gr9 s GLN 142 CO -0.01 -0.75 0.70 0.28 -2.12 0.00 0.00 175.29 173.39 2gr9 n VAL 143 N -1.59 0.87 1.06 1.09 0.31 -1.26 -0.13 118.33 118.68 2gr9 n VAL 143 Ca 0.10 0.24 0.11 0.00 -0.01 0.00 0.00 64.34 64.78 2gr9 n VAL 143 Cb 0.52 -1.24 0.10 0.00 -0.91 0.00 0.00 33.84 32.31 2gr9 n VAL 143 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gr9 n GLU 144 N -1.20 0.74 -0.07 5.55 4.71 -1.26 -3.90 120.64 125.22 2gr9 n GLU 144 Ca 0.00 -0.56 -0.22 0.00 -0.01 0.00 0.00 57.16 56.36 2gr9 n GLU 144 Cb 0.02 -1.49 -0.12 0.00 -1.01 0.00 0.00 31.44 28.84 2gr9 n GLU 144 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2gr9 n ASP 145 N -0.64 1.98 -0.30 1.62 8.00 0.81 -3.26 116.55 124.76 2gr9 n ASP 145 Ca 0.09 0.29 0.07 0.00 0.71 0.00 0.00 54.79 55.95 2gr9 n ASP 145 Cb 0.40 -0.87 0.28 0.00 -0.02 0.00 0.00 41.12 40.91 2gr9 n ASP 145 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2gr9 h GLY 146 N -0.00 1.35 0.73 0.44 0.00 -1.73 0.20 103.07 104.06 2gr9 h GLY 146 Ca -0.43 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 2gr9 h GLY 146 CO -0.11 0.20 -0.38 -0.09 0.00 0.00 0.00 176.54 176.16 2gr9 h ARG 147 N 0.91 -0.97 -0.76 4.80 2.43 -1.71 1.32 114.38 120.41 2gr9 h ARG 147 Ca 0.43 0.07 0.17 0.00 -0.81 0.00 0.00 59.98 59.84 2gr9 h ARG 147 Cb 0.42 0.22 -0.12 0.00 -0.42 0.00 0.00 29.97 30.07 2gr9 h ARG 147 CO -0.19 -0.65 0.09 1.25 -1.51 0.00 0.00 179.97 178.96 2gr9 h LEU 148 N -1.01 -0.18 0.29 3.80 6.46 -1.34 0.13 115.31 123.46 2gr9 h LEU 148 Ca -0.10 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2gr9 h LEU 148 Cb 0.79 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2gr9 h LEU 148 CO 0.14 -0.13 -0.14 -0.03 -0.62 0.00 0.00 178.44 177.67 2gr9 h MET 149 N 0.17 -0.37 0.00 1.25 4.05 -0.29 0.23 114.93 119.97 2gr9 h MET 149 Ca 0.43 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 2gr9 h MET 149 Cb 0.76 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2gr9 h MET 149 CO -0.60 -0.25 0.30 -1.91 0.23 0.00 0.00 176.91 174.68 2gr9 n GLU 150 N -3.07 0.01 -0.08 0.39 0.00 0.45 -0.63 120.64 117.71 2gr9 n GLU 150 Ca -0.05 0.24 -0.10 0.00 0.00 0.00 0.00 57.16 57.25 2gr9 n GLU 150 Cb 0.15 -1.83 -0.08 0.00 0.00 0.00 0.00 31.44 29.68 2gr9 n GLU 150 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2gr9 n GLN 151 N -1.29 0.76 -0.01 5.31 7.27 0.38 -3.46 117.38 126.33 2gr9 n GLN 151 Ca -0.00 0.07 -0.03 0.00 0.07 0.00 0.00 57.00 57.11 2gr9 n GLN 151 Cb 0.31 -1.33 0.20 0.00 2.41 0.00 0.00 30.24 31.83 2gr9 n GLN 151 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2gr9 h LEU 152 N 0.00 0.55 0.17 1.69 5.85 0.18 -2.92 115.31 120.84 2gr9 h LEU 152 Ca -0.37 -0.16 -0.27 0.00 0.84 0.00 0.00 57.88 57.92 2gr9 h LEU 152 Cb 1.63 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 42.53 2gr9 h LEU 152 CO -0.04 0.73 -1.26 -0.07 -0.34 0.00 0.00 178.44 177.47 2gr9 h LEU 153 N 0.51 0.56 0.00 2.25 3.38 -1.48 -3.23 115.31 117.31 2gr9 h LEU 153 Ca 0.09 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2gr9 h LEU 153 Cb 0.58 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2gr9 h LEU 153 CO 0.04 1.58 0.09 -1.20 0.09 0.00 0.00 178.44 179.04 2gr9 n SER 154 N -3.90 0.00 0.09 -0.43 7.64 -1.19 0.74 113.62 116.56 2gr9 n SER 154 Ca -0.19 0.41 0.13 0.00 1.01 0.00 0.00 58.87 60.23 2gr9 n SER 154 Cb 0.95 -0.41 0.41 0.00 -1.01 0.00 0.00 64.21 64.15 2gr9 n SER 154 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2gr9 n SER 155 N -1.41 0.71 0.00 6.43 3.41 -1.11 -3.86 113.62 117.79 2gr9 n SER 155 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2gr9 n SER 155 Cb 0.09 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2gr9 n SER 155 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gr9 n VAL 156 N -2.15 0.24 0.00 -3.33 0.31 0.23 -4.78 118.33 108.85 2gr9 n VAL 156 Ca 0.06 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2gr9 n VAL 156 Cb 0.42 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 2gr9 n VAL 156 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gr9 n GLY 157 N -0.12 -0.88 3.94 2.92 0.00 -1.00 -3.07 105.19 106.98 2gr9 n GLY 157 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2gr9 n GLY 157 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gr9 s PHE 158 N -4.00 3.48 -0.26 1.61 5.36 -0.04 -4.56 117.98 119.57 2gr9 s PHE 158 Ca 0.00 0.27 -0.24 0.00 -0.96 0.00 0.00 56.93 56.00 2gr9 s PHE 158 Cb 0.00 -1.80 0.07 0.00 -0.34 0.00 0.00 43.02 40.94 2gr9 s PHE 158 CO 0.00 0.33 0.69 0.00 -1.46 0.00 0.00 175.22 174.78 2gr9 s THR 160 N 0.36 0.00 0.29 0.00 2.01 -1.05 -5.01 115.64 112.25 2gr9 s THR 160 Ca -0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2gr9 s THR 160 Cb -0.05 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.36 2gr9 s THR 160 CO 0.01 0.00 1.33 -1.61 -0.69 0.00 0.00 174.62 173.66 2gr9 s GLU 161 N 0.02 4.35 -0.08 4.92 2.02 -1.26 -2.26 118.70 126.41 2gr9 s GLU 161 Ca -0.00 2.20 -0.04 0.00 0.02 0.00 0.00 54.97 57.15 2gr9 s GLU 161 Cb -0.04 -3.10 0.04 0.00 0.10 0.00 0.00 34.13 31.13 2gr9 s GLU 161 CO -0.01 -0.23 0.19 0.08 0.02 0.00 0.00 175.26 175.31 2gr9 s VAL 162 N -0.73 -0.04 -0.59 2.63 1.01 0.14 -4.88 120.40 117.94 2gr9 s VAL 162 Ca 0.52 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 2gr9 s VAL 162 Cb -0.39 -0.30 -0.10 0.00 0.00 0.00 0.00 36.38 35.58 2gr9 s VAL 162 CO 0.48 0.06 2.44 1.21 0.00 0.00 0.00 175.10 179.30 2gr9 n GLU 163 N 4.10 0.86 0.00 2.72 2.13 -1.26 -4.13 120.64 125.06 2gr9 n GLU 163 Ca -0.25 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.44 2gr9 n GLU 163 Cb 0.53 -3.28 0.00 0.00 0.27 0.00 0.00 31.44 28.95 2gr9 n GLU 163 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2gr9 n GLU 164 N 8.88 0.00 0.19 5.31 2.13 -1.26 -0.14 120.64 135.74 2gr9 n GLU 164 Ca 0.42 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.35 2gr9 n GLU 164 Cb 0.48 0.00 0.60 0.00 0.27 0.00 0.00 31.44 32.79 2gr9 n GLU 164 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2gr9 h ASP 165 N 0.00 0.00 0.43 4.31 -0.00 -2.03 0.79 116.42 119.92 2gr9 h ASP 165 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.72 2gr9 h ASP 165 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 2gr9 h ASP 165 CO 0.00 0.00 -1.72 -0.07 -0.00 0.00 0.00 179.24 177.45 2gr9 h LEU 166 N 0.00 0.13 -0.19 0.15 3.38 -0.88 -3.37 115.31 114.53 2gr9 h LEU 166 Ca 0.00 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2gr9 h LEU 166 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2gr9 h LEU 166 CO 0.00 1.24 1.01 0.40 0.09 0.00 0.00 178.44 181.18 2gr9 h ILE 167 N 0.02 0.00 0.15 1.22 1.08 -1.00 0.41 117.51 119.39 2gr9 h ILE 167 Ca -0.30 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 63.88 2gr9 h ILE 167 Cb 2.01 0.02 0.01 0.00 -3.07 0.00 0.00 36.82 35.79 2gr9 h ILE 167 CO 0.09 0.00 -1.32 0.44 -0.69 0.00 0.00 178.15 176.68 2gr9 h ASP 168 N 0.00 0.50 0.31 1.72 3.32 -1.73 -2.98 116.42 117.55 2gr9 h ASP 168 Ca 0.06 -0.54 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2gr9 h ASP 168 Cb 2.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.47 2gr9 h ASP 168 CO -0.00 1.43 -0.15 0.00 -1.72 0.00 0.00 179.24 178.80 2gr9 h ALA 169 N 0.50 -0.42 -0.98 3.45 0.00 -0.48 -3.17 119.26 118.17 2gr9 h ALA 169 Ca -0.17 -0.17 0.37 0.00 0.00 0.00 0.00 54.91 54.94 2gr9 h ALA 169 Cb 2.01 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 19.79 2gr9 h ALA 169 CO 0.21 -0.45 0.40 0.28 0.00 0.00 0.00 179.25 179.69 2gr9 n VAL 170 N -5.06 -0.41 -0.25 0.00 0.31 -1.01 0.18 118.33 112.08 2gr9 n VAL 170 Ca -0.08 2.02 0.01 0.00 -0.01 0.00 0.00 64.34 66.28 2gr9 n VAL 170 Cb 0.25 -3.20 0.22 0.00 -0.91 0.00 0.00 33.84 30.20 2gr9 n VAL 170 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2gr9 h THR 171 N 0.00 1.19 0.60 2.52 1.35 -1.49 -1.56 112.91 115.51 2gr9 h THR 171 Ca 0.77 -0.37 -0.03 0.00 -0.55 0.00 0.00 66.41 66.23 2gr9 h THR 171 Cb 1.95 0.02 0.01 0.00 -1.73 0.00 0.00 68.15 68.39 2gr9 h THR 171 CO -0.79 0.20 -0.29 1.23 -0.25 0.00 0.00 175.52 175.61 2gr9 h GLY 172 N 1.07 -0.85 0.00 5.82 0.00 0.18 0.23 103.07 109.53 2gr9 h GLY 172 Ca 0.30 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2gr9 h GLY 172 CO -0.07 -0.31 0.00 -0.10 0.00 0.00 0.00 176.54 176.06 2gr9 n LEU 173 N -5.38 0.00 0.24 3.11 7.94 -1.00 -3.29 117.00 118.62 2gr9 n LEU 173 Ca -0.12 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 54.93 2gr9 n LEU 173 Cb 0.35 0.00 0.65 0.00 0.53 0.00 0.00 43.42 44.95 2gr9 n LEU 173 CO 0.34 0.00 1.13 0.77 -1.11 0.00 0.00 177.39 178.51 2gr9 h SER 174 N 0.00 0.00 0.35 1.96 4.64 -1.68 0.56 113.55 119.38 2gr9 h SER 174 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2gr9 h SER 174 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2gr9 h SER 174 CO 0.00 0.00 -0.17 1.23 -0.87 0.00 0.00 176.83 177.02 2gr9 h GLY 175 N 0.00 -0.49 1.43 -0.77 0.00 -0.63 -3.37 103.07 99.23 2gr9 h GLY 175 Ca 0.08 0.18 -0.30 0.00 0.00 0.00 0.00 47.33 47.30 2gr9 h GLY 175 CO -0.00 -0.18 -1.39 1.76 0.00 0.00 0.00 176.54 176.73 2gr9 h SER 176 N -0.81 0.47 -0.16 0.19 0.02 -0.30 -3.41 113.55 109.56 2gr9 h SER 176 Ca -0.05 -0.55 0.02 0.00 -0.84 0.00 0.00 61.79 60.36 2gr9 h SER 176 Cb 0.36 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2gr9 h SER 176 CO 0.08 1.45 -0.09 0.61 -1.14 0.00 0.00 176.83 177.73 2gr9 n GLY 177 N 1.61 -0.41 0.43 -3.77 0.00 0.19 0.83 105.19 104.08 2gr9 n GLY 177 Ca -0.13 0.19 0.21 0.00 0.00 0.00 0.00 46.02 46.29 2gr9 n GLY 177 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gr9 h PRO 178 N 0.00 0.00 0.00 1.61 0.11 -1.78 0.50 132.00 132.44 2gr9 h PRO 178 Ca 0.03 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.96 2gr9 h PRO 178 Cb 0.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2gr9 h PRO 178 CO -0.16 0.00 -1.15 0.00 -0.21 0.00 0.00 178.00 176.48 2gr9 h ALA 179 N 0.95 0.62 0.00 -0.75 0.00 0.10 -1.57 119.26 118.61 2gr9 h ALA 179 Ca 0.27 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 2gr9 h ALA 179 Cb 1.85 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2gr9 h ALA 179 CO -0.00 1.03 -0.50 1.88 0.00 0.00 0.00 179.25 181.66 2gr9 h TYR 180 N 0.00 0.00 0.08 0.00 0.99 -0.09 -2.10 116.97 115.84 2gr9 h TYR 180 Ca -0.11 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.61 2gr9 h TYR 180 Cb 1.65 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.38 2gr9 h TYR 180 CO 0.00 0.50 -0.04 0.00 -0.00 0.00 0.00 178.16 178.62 2gr9 h ALA 181 N 1.50 -0.11 -0.91 3.88 0.00 -1.23 -2.18 119.26 120.22 2gr9 h ALA 181 Ca -0.00 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 54.90 2gr9 h ALA 181 Cb 0.93 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2gr9 h ALA 181 CO 0.06 -0.14 0.61 0.74 0.00 0.00 0.00 179.25 180.53 2gr9 h PHE 182 N -0.96 0.41 -0.07 0.00 0.05 -1.28 0.37 116.94 115.45 2gr9 h PHE 182 Ca -0.01 0.01 -0.14 0.00 3.82 0.00 0.00 57.97 61.65 2gr9 h PHE 182 Cb 0.49 -0.12 0.01 0.00 2.00 0.00 0.00 35.95 38.32 2gr9 h PHE 182 CO 0.11 0.10 -0.52 1.15 -0.18 0.00 0.00 178.31 178.97 2gr9 h THR 183 N 0.30 1.38 -0.13 -1.55 2.02 -1.42 -2.81 112.91 110.69 2gr9 h THR 183 Ca 0.47 -1.88 -0.06 0.00 0.77 0.00 0.00 66.41 65.70 2gr9 h THR 183 Cb 1.34 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 2gr9 h THR 183 CO -0.14 0.56 -0.20 0.00 0.37 0.00 0.00 175.52 176.11 2gr9 h ALA 184 N 0.43 1.43 0.31 6.16 0.00 -0.03 -2.14 119.26 125.42 2gr9 h ALA 184 Ca -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2gr9 h ALA 184 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2gr9 h ALA 184 CO 0.11 0.40 -0.15 -0.07 0.00 0.00 0.00 179.25 179.54 2gr9 h LEU 185 N 0.20 -0.35 -0.90 0.00 3.38 -0.45 -2.04 115.31 115.15 2gr9 h LEU 185 Ca 0.04 -0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.07 2gr9 h LEU 185 Cb 0.48 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.18 2gr9 h LEU 185 CO 0.03 0.05 0.31 -0.78 0.09 0.00 0.00 178.44 178.14 2gr9 h ASP 186 N -0.82 0.13 0.00 -0.43 3.58 -1.37 0.41 116.42 117.92 2gr9 h ASP 186 Ca -0.04 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2gr9 h ASP 186 Cb 0.52 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2gr9 h ASP 186 CO 0.07 -0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.31 2gr9 n ALA 187 N -2.61 -0.14 -0.24 -0.78 0.00 -0.82 -1.65 120.51 114.27 2gr9 n ALA 187 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.69 2gr9 n ALA 187 Cb 0.72 0.06 0.06 0.00 0.00 0.00 0.00 19.45 20.29 2gr9 n ALA 187 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gr9 n LEU 188 N -1.14 -0.33 0.00 0.00 4.77 -0.78 0.03 117.00 119.56 2gr9 n LEU 188 Ca 0.00 1.13 -0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2gr9 n LEU 188 Cb 0.00 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2gr9 n LEU 188 CO 0.00 -1.05 0.50 0.00 -1.33 0.00 0.00 177.39 175.51 2gr9 h ALA 189 N 1.10 -0.56 -0.73 -1.18 0.00 -0.84 0.94 119.26 117.99 2gr9 h ALA 189 Ca 0.27 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.38 2gr9 h ALA 189 Cb 0.43 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 18.55 2gr9 h ALA 189 CO -0.66 -0.57 0.04 -0.25 0.00 0.00 0.00 179.25 177.81 2gr9 n ASP 190 N -2.52 -0.07 0.38 0.00 9.92 0.10 0.60 116.55 124.97 2gr9 n ASP 190 Ca -0.00 1.24 -0.15 0.00 -0.53 0.00 0.00 54.79 55.35 2gr9 n ASP 190 Cb 0.01 -0.46 -0.07 0.00 -0.64 0.00 0.00 41.12 39.96 2gr9 n ASP 190 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2gr9 h GLY 191 N 0.00 -1.04 -0.45 0.44 0.00 0.11 0.18 103.07 102.31 2gr9 h GLY 191 Ca 0.45 0.38 0.30 0.00 0.00 0.00 0.00 47.33 48.47 2gr9 h GLY 191 CO -0.68 -0.38 0.53 -1.33 0.00 0.00 0.00 176.54 174.68 2gr9 h GLY 192 N -1.23 1.96 1.00 4.60 0.00 0.42 0.85 103.07 110.67 2gr9 h GLY 192 Ca -0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2gr9 h GLY 192 CO 0.17 -0.44 0.15 -2.08 0.00 0.00 0.00 176.54 174.34 2gr9 h VAL 193 N 0.35 1.25 0.00 4.60 2.07 0.48 -2.22 116.25 122.78 2gr9 h VAL 193 Ca 0.70 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2gr9 h VAL 193 Cb 1.53 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2gr9 h VAL 193 CO -0.59 0.32 0.00 1.17 0.02 0.00 0.00 177.57 178.49 2gr9 n LYS 194 N -4.40 0.67 0.00 1.57 4.81 0.29 -1.45 118.16 119.66 2gr9 n LYS 194 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2gr9 n LYS 194 Cb 0.23 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2gr9 n LYS 194 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2gr9 n MET 195 N 1.42 2.59 0.00 1.64 2.81 -0.84 -5.01 117.12 119.73 2gr9 n MET 195 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2gr9 n MET 195 Cb 0.33 -0.22 0.00 0.00 -0.71 0.00 0.00 33.22 32.63 2gr9 n MET 195 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gr9 n GLY 196 N 0.00 1.24 3.76 3.03 0.00 -0.53 -5.10 105.19 107.59 2gr9 n GLY 196 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2gr9 n GLY 196 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gr9 n LEU 197 N 0.00 4.98 -4.81 0.99 4.77 -1.17 -4.98 117.00 116.78 2gr9 n LEU 197 Ca 0.00 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.84 2gr9 n LEU 197 Cb 0.00 -1.61 0.10 0.00 -2.33 0.00 0.00 43.42 39.58 2gr9 n LEU 197 CO 0.00 -0.06 0.72 -2.16 -1.33 0.00 0.00 177.39 174.55 2gr9 s PRO 198 N -2.33 1.96 0.02 3.23 0.04 -1.26 -4.16 135.00 132.51 2gr9 s PRO 198 Ca 0.58 0.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 2gr9 s PRO 198 Cb -0.46 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 2gr9 s PRO 198 CO 0.60 -1.69 1.15 -0.09 0.04 0.00 0.00 177.00 177.01 2gr9 h ARG 199 N -1.13 -0.35 -0.56 4.56 9.65 -1.96 -1.13 114.38 123.47 2gr9 h ARG 199 Ca -0.47 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.53 2gr9 h ARG 199 Cb 1.28 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 29.83 2gr9 h ARG 199 CO 0.60 -0.23 -0.35 0.00 2.80 0.00 0.00 179.97 182.79 2gr9 h ARG 200 N -0.36 -0.19 -0.42 0.20 3.08 -2.00 -0.93 114.38 113.76 2gr9 h ARG 200 Ca -0.04 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.11 2gr9 h ARG 200 Cb 0.28 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 2gr9 h ARG 200 CO 0.06 -0.12 -0.26 1.25 -1.07 0.00 0.00 179.97 179.83 2gr9 h LEU 201 N -0.19 -0.86 -0.17 3.04 5.85 -1.95 -2.53 115.31 118.50 2gr9 h LEU 201 Ca 0.21 0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.14 2gr9 h LEU 201 Cb 0.55 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2gr9 h LEU 201 CO -0.66 -0.27 -0.06 0.00 -0.34 0.00 0.00 178.44 177.11 2gr9 h ALA 202 N 1.00 0.09 -0.76 1.25 0.00 0.12 -2.17 119.26 118.80 2gr9 h ALA 202 Ca 0.19 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2gr9 h ALA 202 Cb 0.49 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2gr9 h ALA 202 CO -0.52 -0.50 0.43 0.28 0.00 0.00 0.00 179.25 178.95 2gr9 h VAL 203 N -0.03 0.95 -0.25 0.00 2.07 -1.00 -0.24 116.25 117.75 2gr9 h VAL 203 Ca 0.09 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 2gr9 h VAL 203 Cb 0.16 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2gr9 h VAL 203 CO -0.20 0.14 -0.41 0.03 0.02 0.00 0.00 177.57 177.15 2gr9 h ARG 204 N 0.77 0.59 -0.23 1.57 2.47 -1.26 0.15 114.38 118.44 2gr9 h ARG 204 Ca 0.35 -0.31 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 2gr9 h ARG 204 Cb 0.25 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2gr9 h ARG 204 CO -0.21 0.90 -0.30 -0.07 0.56 0.00 0.00 179.97 180.86 2gr9 h LEU 205 N 0.49 0.66 -0.22 3.04 3.38 -0.97 0.17 115.31 121.86 2gr9 h LEU 205 Ca 0.04 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2gr9 h LEU 205 Cb 0.92 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2gr9 h LEU 205 CO 0.08 1.03 0.05 1.23 0.09 0.00 0.00 178.44 180.92 2gr9 h GLY 206 N 0.31 0.25 0.37 0.83 0.00 -0.95 0.76 103.07 104.63 2gr9 h GLY 206 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2gr9 h GLY 206 CO 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.27 2gr9 h ALA 207 N 1.15 -1.04 -0.92 3.60 0.00 -0.84 -2.07 119.26 119.15 2gr9 h ALA 207 Ca 0.10 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.09 2gr9 h ALA 207 Cb 0.09 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 2gr9 h ALA 207 CO -0.12 -1.06 0.44 1.96 0.00 0.00 0.00 179.25 180.47 2gr9 h GLN 208 N -0.70 0.44 -0.09 0.00 1.08 -0.33 -0.15 115.11 115.36 2gr9 h GLN 208 Ca -0.05 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2gr9 h GLN 208 Cb 0.60 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2gr9 h GLN 208 CO -0.03 0.29 -0.07 0.00 -0.95 0.00 0.00 178.83 178.07 2gr9 h ALA 209 N 1.70 -0.00 0.71 3.87 0.00 0.91 -1.53 119.26 124.91 2gr9 h ALA 209 Ca 0.57 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.49 2gr9 h ALA 209 Cb 1.07 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2gr9 h ALA 209 CO -0.51 -0.54 -0.49 -0.07 0.00 0.00 0.00 179.25 177.64 2gr9 h LEU 210 N -0.09 -1.28 -0.45 0.00 3.38 -0.36 -1.99 115.31 114.52 2gr9 h LEU 210 Ca 0.06 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2gr9 h LEU 210 Cb 0.17 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2gr9 h LEU 210 CO -0.14 -0.73 -0.27 0.25 0.09 0.00 0.00 178.44 177.64 2gr9 h LEU 211 N -1.14 -1.00 -0.72 1.67 7.12 -1.24 0.12 115.31 120.12 2gr9 h LEU 211 Ca -0.09 0.15 0.13 0.00 0.13 0.00 0.00 57.88 58.20 2gr9 h LEU 211 Cb 0.94 0.44 -0.13 0.00 -0.53 0.00 0.00 40.66 41.37 2gr9 h LEU 211 CO 0.06 -0.11 -0.27 1.23 -0.13 0.00 0.00 178.44 179.22 2gr9 h GLY 212 N -0.00 0.25 0.16 3.75 0.00 -1.20 0.13 103.07 106.14 2gr9 h GLY 212 Ca 0.07 0.35 0.13 0.00 0.00 0.00 0.00 47.33 47.88 2gr9 h GLY 212 CO -0.43 -0.25 0.20 0.00 0.00 0.00 0.00 176.54 176.06 2gr9 h ALA 213 N 1.43 0.86 0.02 3.60 0.00 -0.06 -2.29 119.26 122.82 2gr9 h ALA 213 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2gr9 h ALA 213 Cb 0.56 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2gr9 h ALA 213 CO -0.77 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.06 2gr9 h ALA 214 N 1.51 -0.66 -0.32 0.00 0.00 0.11 -2.18 119.26 117.73 2gr9 h ALA 214 Ca 0.36 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2gr9 h ALA 214 Cb 0.54 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2gr9 h ALA 214 CO -0.41 -0.70 -0.19 0.87 0.00 0.00 0.00 179.25 178.82 2gr9 h LYS 215 N -0.21 -0.00 -0.99 0.00 1.79 -1.02 0.29 116.57 116.44 2gr9 h LYS 215 Ca 0.00 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 58.77 2gr9 h LYS 215 Cb 0.22 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.69 2gr9 h LYS 215 CO -0.10 -0.00 0.13 0.52 -1.08 0.00 0.00 179.45 178.92 2gr9 h MET 216 N -0.00 0.01 -0.55 3.15 2.86 -1.32 0.56 114.93 119.65 2gr9 h MET 216 Ca 0.05 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2gr9 h MET 216 Cb 0.13 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2gr9 h MET 216 CO -0.30 0.01 -0.01 1.25 1.06 0.00 0.00 176.91 178.92 2gr9 h LEU 217 N 0.01 0.96 -0.04 1.22 5.85 0.15 -3.24 115.31 120.22 2gr9 h LEU 217 Ca 0.64 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2gr9 h LEU 217 Cb 1.41 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2gr9 h LEU 217 CO -0.89 1.04 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.07 2gr9 h LEU 218 N 0.86 0.17 -4.04 2.25 3.38 0.19 -3.30 115.31 114.82 2gr9 h LEU 218 Ca 0.15 -0.60 -0.17 0.00 0.09 0.00 0.00 57.88 57.36 2gr9 h LEU 218 Cb 0.56 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2gr9 h LEU 218 CO 0.03 0.74 -0.31 1.41 0.09 0.00 0.00 178.44 180.40 2gr9 n HIS 219 N -4.66 0.00 0.00 1.13 8.25 0.72 -4.77 115.22 115.90 2gr9 n HIS 219 Ca -0.08 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.02 2gr9 n HIS 219 Cb 0.37 -1.46 0.00 0.00 1.12 0.00 0.00 29.99 30.01 2gr9 n HIS 219 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2gr9 n SER 220 N 2.50 0.00 0.00 0.41 3.41 -1.24 -4.93 113.62 113.78 2gr9 n SER 220 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2gr9 n SER 220 Cb 0.83 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 2gr9 n SER 220 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2gr9 n GLU 221 N -0.66 0.00 0.00 4.33 2.13 -1.26 -4.86 120.64 120.32 2gr9 n GLU 221 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gr9 n GLU 221 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2gr9 n GLU 221 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2gr9 n GLN 222 N -0.51 0.00 0.00 5.31 1.13 -1.26 -4.62 117.38 117.43 2gr9 n GLN 222 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2gr9 n GLN 222 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2gr9 n GLN 222 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2gr9 n HIS 223 N 0.00 0.00 0.05 1.08 -0.00 -1.26 -4.23 115.22 110.86 2gr9 n HIS 223 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 57.92 2gr9 n HIS 223 Cb 0.00 0.00 0.73 0.00 -0.00 0.00 0.00 29.99 30.72 2gr9 n HIS 223 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2gr9 h PRO 224 N 0.00 0.00 0.35 1.57 0.11 -1.97 -0.87 132.00 131.19 2gr9 h PRO 224 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2gr9 h PRO 224 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2gr9 h PRO 224 CO 0.00 0.00 -0.27 0.78 -0.21 0.00 0.00 178.00 178.30 2gr9 h GLY 225 N 0.00 -0.66 0.93 -0.55 0.00 -1.97 -2.73 103.07 98.09 2gr9 h GLY 225 Ca 0.21 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 2gr9 h GLY 225 CO -0.00 -0.25 0.12 -1.61 0.00 0.00 0.00 176.54 174.80 2gr9 h GLN 226 N -0.62 0.39 -0.52 4.80 4.15 -1.34 -2.11 115.11 119.85 2gr9 h GLN 226 Ca -0.03 -0.06 0.15 0.00 0.77 0.00 0.00 58.65 59.49 2gr9 h GLN 226 Cb 0.54 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 2gr9 h GLN 226 CO -0.01 0.39 0.41 -0.07 -1.93 0.00 0.00 178.83 177.62 2gr9 h LEU 227 N 0.30 0.00 -0.20 -2.39 3.38 -1.45 0.32 115.31 115.27 2gr9 h LEU 227 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2gr9 h LEU 227 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2gr9 h LEU 227 CO -0.01 0.00 0.07 0.50 0.09 0.00 0.00 178.44 179.09 2gr9 h LYS 228 N 0.00 0.31 -0.39 1.13 3.64 -1.06 -2.88 116.57 117.32 2gr9 h LYS 228 Ca 0.25 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2gr9 h LYS 228 Cb 1.07 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2gr9 h LYS 228 CO -0.00 0.39 0.24 -0.44 -2.27 0.00 0.00 179.45 177.36 2gr9 h ASP 229 N 0.17 0.40 -0.01 4.20 5.19 -0.27 -2.39 116.42 123.71 2gr9 h ASP 229 Ca 0.07 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2gr9 h ASP 229 Cb 0.20 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 2gr9 h ASP 229 CO -0.00 0.29 0.03 0.78 -3.12 0.00 0.00 179.24 177.21 2gr9 h ASN 230 N 0.49 0.00 -0.02 6.45 4.21 -1.09 -2.46 115.58 123.15 2gr9 h ASN 230 Ca 0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.66 2gr9 h ASN 230 Cb -0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 2gr9 h ASN 230 CO -0.06 0.00 -0.06 0.52 -1.29 0.00 0.00 177.43 176.54 2gr9 n VAL 231 N -3.30 0.00 -4.05 2.81 0.31 -0.91 -4.90 118.33 108.28 2gr9 n VAL 231 Ca -0.03 -0.47 -0.32 0.00 -0.01 0.00 0.00 64.34 63.51 2gr9 n VAL 231 Cb 0.10 1.40 -0.15 0.00 -0.91 0.00 0.00 33.84 34.28 2gr9 n VAL 231 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2gr9 s SER 232 N -1.79 4.44 0.06 4.52 1.04 -0.93 -4.91 113.70 116.12 2gr9 s SER 232 Ca 0.23 -1.35 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 2gr9 s SER 232 Cb 0.17 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 2gr9 s SER 232 CO 0.29 -0.19 0.99 -0.94 0.98 0.00 0.00 173.24 174.37 2gr9 s SER 233 N 1.13 7.40 0.42 7.02 1.04 -1.26 -4.89 113.70 124.55 2gr9 s SER 233 Ca -0.08 1.75 0.24 0.00 0.48 0.00 0.00 55.95 58.35 2gr9 s SER 233 Cb -0.20 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.18 2gr9 s SER 233 CO -0.05 -0.19 0.97 -2.65 0.98 0.00 0.00 173.24 172.30 2gr9 n PRO 234 N 3.38 0.01 0.00 4.02 -0.02 -1.26 -2.47 135.00 138.66 2gr9 n PRO 234 Ca 0.05 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2gr9 n PRO 234 Cb 0.50 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2gr9 n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr9 n GLY 235 N -1.51 -1.89 0.00 -1.23 0.00 -1.26 -5.07 105.19 94.23 2gr9 n GLY 235 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2gr9 n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr9 n GLY 236 N 0.32 2.00 4.17 -0.02 0.00 -1.03 -4.90 105.19 105.72 2gr9 n GLY 236 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2gr9 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 n ALA 237 N -3.00 0.00 0.06 4.61 0.00 -1.26 -4.17 120.51 116.75 2gr9 n ALA 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gr9 n ALA 237 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gr9 n ALA 237 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2gr9 n THR 238 N 0.00 0.81 0.17 0.00 -1.04 -1.26 -4.33 114.28 108.62 2gr9 n THR 238 Ca 0.00 0.27 0.17 0.00 -2.04 0.00 0.00 64.05 62.44 2gr9 n THR 238 Cb 0.00 -1.26 0.62 0.00 -1.82 0.00 0.00 70.33 67.87 2gr9 n THR 238 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2gr9 h ILE 239 N 0.00 0.13 0.15 12.58 6.09 -1.86 0.59 117.51 135.18 2gr9 h ILE 239 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 2gr9 h ILE 239 Cb 0.00 0.47 0.00 0.00 0.47 0.00 0.00 36.82 37.76 2gr9 h ILE 239 CO 0.00 0.00 -0.07 0.45 -3.07 0.00 0.00 178.15 175.46 2gr9 h HIS 240 N 0.00 -0.18 -0.96 2.19 3.86 -1.83 -2.43 115.15 115.80 2gr9 h HIS 240 Ca 0.14 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.47 2gr9 h HIS 240 Cb 1.33 0.06 -0.08 0.00 1.06 0.00 0.00 27.41 29.78 2gr9 h HIS 240 CO 0.00 0.26 0.59 0.00 0.86 0.00 0.00 177.93 179.64 2gr9 h ALA 241 N -0.37 1.44 -0.53 2.45 0.00 -0.16 -1.99 119.26 120.11 2gr9 h ALA 241 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gr9 h ALA 241 Cb 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2gr9 h ALA 241 CO 0.03 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.74 2gr9 n LEU 242 N -4.66 0.00 -0.15 0.00 4.77 0.38 -1.42 117.00 115.91 2gr9 n LEU 242 Ca 0.18 0.91 0.12 0.00 -0.03 0.00 0.00 56.01 57.20 2gr9 n LEU 242 Cb 0.35 -0.41 0.23 0.00 -2.33 0.00 0.00 43.42 41.26 2gr9 n LEU 242 CO 0.27 -0.41 0.45 1.57 -1.33 0.00 0.00 177.39 177.94 2gr9 n HIS 243 N -2.09 0.47 -0.03 -1.77 -0.00 -0.78 0.13 115.22 111.15 2gr9 n HIS 243 Ca 0.00 0.55 -0.12 0.00 0.46 0.00 0.00 57.72 58.60 2gr9 n HIS 243 Cb 0.00 -0.95 -0.08 0.00 -0.12 0.00 0.00 29.99 28.84 2gr9 n HIS 243 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 2gr9 h VAL 244 N 0.00 1.30 0.09 3.57 -1.51 -0.90 0.18 116.25 118.98 2gr9 h VAL 244 Ca 0.36 -0.98 -0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2gr9 h VAL 244 Cb 0.90 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2gr9 h VAL 244 CO -0.38 0.28 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.10 2gr9 h LEU 245 N -0.17 -0.17 -2.21 4.19 3.38 0.17 -0.02 115.31 120.48 2gr9 h LEU 245 Ca 0.02 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2gr9 h LEU 245 Cb 0.45 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2gr9 h LEU 245 CO 0.01 -0.11 0.25 -0.08 0.09 0.00 0.00 178.44 178.61 2gr9 h GLU 246 N -0.16 0.00 0.00 1.13 4.57 -0.24 0.05 114.58 119.93 2gr9 h GLU 246 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2gr9 h GLU 246 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2gr9 h GLU 246 CO -0.00 0.00 -0.15 0.77 -1.18 0.00 0.00 179.01 178.44 2gr9 h SER 247 N 0.00 0.00 -1.28 1.04 0.02 0.13 -3.32 113.55 110.15 2gr9 h SER 247 Ca 0.09 -0.05 -0.56 0.00 -0.84 0.00 0.00 61.79 60.43 2gr9 h SER 247 Cb 0.59 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.71 2gr9 h SER 247 CO -0.00 0.02 -0.78 0.61 -1.14 0.00 0.00 176.83 175.54 2gr9 n GLY 248 N 1.29 5.87 4.19 -3.77 0.00 -0.01 -4.96 105.19 107.79 2gr9 n GLY 248 Ca 0.05 -2.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.06 2gr9 n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr9 n GLY 249 N -0.53 -0.29 0.35 -0.02 0.00 -1.23 -4.82 105.19 98.65 2gr9 n GLY 249 Ca 0.39 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.58 2gr9 n GLY 249 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2gr9 h PHE 250 N -0.96 1.04 0.48 1.61 3.57 -1.78 0.31 116.94 121.21 2gr9 h PHE 250 Ca -0.55 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 2gr9 h PHE 250 Cb 1.24 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2gr9 h PHE 250 CO 0.59 0.32 -0.23 0.00 -2.23 0.00 0.00 178.31 176.76 2gr9 h ARG 251 N 0.84 -0.62 -0.80 1.11 3.08 -1.87 -3.16 114.38 112.95 2gr9 h ARG 251 Ca 0.52 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.77 2gr9 h ARG 251 Cb 0.66 0.14 -0.15 0.00 0.08 0.00 0.00 29.97 30.70 2gr9 h ARG 251 CO -0.32 -0.38 -0.18 0.45 -1.07 0.00 0.00 179.97 178.46 2gr9 n SER 252 N -5.21 -0.27 0.29 7.04 2.88 -0.57 0.86 113.62 118.65 2gr9 n SER 252 Ca -0.09 1.38 0.19 0.00 -1.33 0.00 0.00 58.87 59.02 2gr9 n SER 252 Cb 0.27 -0.42 0.82 0.00 -0.75 0.00 0.00 64.21 64.13 2gr9 n SER 252 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2gr9 h LEU 253 N 0.00 0.00 0.13 2.46 3.38 -0.43 -1.79 115.31 119.06 2gr9 h LEU 253 Ca 0.39 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.06 2gr9 h LEU 253 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2gr9 h LEU 253 CO -0.82 0.00 -1.52 -0.07 0.09 0.00 0.00 178.44 176.12 2gr9 h LEU 254 N 0.00 0.43 0.36 1.67 3.38 0.50 -2.97 115.31 118.68 2gr9 h LEU 254 Ca 0.00 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 2gr9 h LEU 254 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2gr9 h LEU 254 CO 0.00 1.48 -0.18 0.40 0.09 0.00 0.00 178.44 180.22 2gr9 h ILE 255 N 0.08 0.00 -0.82 1.22 2.04 -1.20 -1.72 117.51 117.11 2gr9 h ILE 255 Ca -0.24 0.00 0.28 0.00 1.00 0.00 0.00 64.86 65.90 2gr9 h ILE 255 Cb 2.03 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.02 2gr9 h ILE 255 CO 0.17 0.00 0.53 0.59 0.00 0.00 0.00 178.15 179.44 2gr9 n ASN 256 N -3.39 0.12 0.07 1.72 4.13 -0.70 0.20 115.26 117.41 2gr9 n ASN 256 Ca -0.06 0.81 0.05 0.00 1.68 0.00 0.00 54.58 57.06 2gr9 n ASN 256 Cb 0.20 -0.40 -0.04 0.00 -1.54 0.00 0.00 39.78 38.00 2gr9 n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gr9 h ALA 257 N 0.93 0.61 0.02 5.41 0.00 -1.24 -2.28 119.26 122.71 2gr9 h ALA 257 Ca 0.52 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2gr9 h ALA 257 Cb 1.69 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2gr9 h ALA 257 CO -0.27 0.54 -0.14 -0.24 0.00 0.00 0.00 179.25 179.14 2gr9 h VAL 258 N 0.00 1.73 -0.43 0.00 3.04 0.32 -1.97 116.25 118.93 2gr9 h VAL 258 Ca -0.09 -2.33 0.09 0.00 -1.01 0.00 0.00 66.70 63.36 2gr9 h VAL 258 Cb 1.35 3.31 -0.09 0.00 -2.01 0.00 0.00 31.29 33.84 2gr9 h VAL 258 CO 0.03 0.62 -0.20 -0.08 -1.01 0.00 0.00 177.57 176.92 2gr9 h GLU 259 N -0.86 -0.11 -0.47 4.17 4.81 -1.14 0.15 114.58 121.13 2gr9 h GLU 259 Ca -0.02 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2gr9 h GLU 259 Cb 1.09 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 2gr9 h GLU 259 CO 0.03 -0.07 0.23 0.00 -0.73 0.00 0.00 179.01 178.46 2gr9 h ALA 260 N 1.19 0.60 -0.85 2.92 0.00 -1.46 0.34 119.26 121.98 2gr9 h ALA 260 Ca 0.21 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2gr9 h ALA 260 Cb 0.44 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2gr9 h ALA 260 CO -0.51 -0.13 0.55 1.03 0.00 0.00 0.00 179.25 180.19 2gr9 h SER 261 N 0.45 0.90 0.00 0.00 0.87 -0.00 -1.54 113.55 114.23 2gr9 h SER 261 Ca 0.21 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2gr9 h SER 261 Cb 0.13 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2gr9 h SER 261 CO -0.16 0.62 0.00 0.00 -0.53 0.00 0.00 176.83 176.76 2gr9 n ILE 263 N -1.38 -0.16 0.04 0.00 -0.00 0.05 0.16 119.36 118.08 2gr9 n ILE 263 Ca 0.00 1.29 -0.11 0.00 -0.00 0.00 0.00 62.75 63.93 2gr9 n ILE 263 Cb 0.00 -2.12 -0.08 0.00 -0.00 0.00 0.00 39.64 37.44 2gr9 n ILE 263 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 2gr9 h ARG 264 N 0.00 -0.18 -0.73 0.38 9.65 -1.27 -2.54 114.38 119.68 2gr9 h ARG 264 Ca 0.65 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.66 2gr9 h ARG 264 Cb 2.16 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 30.73 2gr9 h ARG 264 CO -0.30 0.28 0.48 0.00 2.80 0.00 0.00 179.97 183.24 2gr9 h THR 265 N -0.80 0.86 0.18 0.20 1.03 0.23 0.89 112.91 115.50 2gr9 h THR 265 Ca -0.02 -0.17 -0.01 0.00 -0.01 0.00 0.00 66.41 66.20 2gr9 h THR 265 Cb 0.54 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 2gr9 h THR 265 CO 0.03 0.09 -0.09 0.03 -0.01 0.00 0.00 175.52 175.57 2gr9 h ARG 266 N 0.50 -0.24 -0.73 0.00 3.08 -1.00 -3.00 114.38 112.99 2gr9 h ARG 266 Ca 0.35 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.48 2gr9 h ARG 266 Cb 0.67 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.69 2gr9 h ARG 266 CO -0.12 -0.16 -0.43 0.39 -1.07 0.00 0.00 179.97 178.58 2gr9 n GLU 267 N -2.69 -0.32 -0.33 0.04 1.02 -0.70 0.08 120.64 117.74 2gr9 n GLU 267 Ca -0.03 1.31 0.16 0.00 -0.02 0.00 0.00 57.16 58.58 2gr9 n GLU 267 Cb 0.10 -1.93 0.32 0.00 -0.02 0.00 0.00 31.44 29.90 2gr9 n GLU 267 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2gr9 n LEU 268 N -4.68 -0.05 -0.07 -4.62 4.77 0.23 -1.09 117.00 111.48 2gr9 n LEU 268 Ca 0.01 1.61 -0.09 0.00 -0.03 0.00 0.00 56.01 57.51 2gr9 n LEU 268 Cb 0.19 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 2gr9 n LEU 268 CO -0.12 -1.65 0.01 -0.61 -1.33 0.00 0.00 177.39 173.69 2gr9 h GLN 269 N 0.00 0.00 -0.72 3.23 4.15 -0.70 -3.13 115.11 117.94 2gr9 h GLN 269 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.03 2gr9 h GLN 269 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2gr9 h GLN 269 CO -0.87 0.52 0.00 0.43 -1.93 0.00 0.00 178.83 176.98 2gr9 n SER 270 N -4.64 0.48 0.00 -0.69 7.64 0.11 0.19 113.62 116.71 2gr9 n SER 270 Ca -0.10 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2gr9 n SER 270 Cb 0.32 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2gr9 n SER 270 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2gr9 n MET 271 N 0.50 0.59 0.00 1.43 0.00 -0.25 -4.64 117.12 114.75 2gr9 n MET 271 Ca 0.00 -0.03 0.07 0.00 -0.00 0.00 0.00 57.70 57.74 2gr9 n MET 271 Cb 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 33.22 33.09 2gr9 n MET 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gr9 n ALA 272 N -0.09 2.85 0.04 -5.12 0.00 0.50 -4.18 120.51 114.52 2gr9 n ALA 272 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 2gr9 n ALA 272 Cb 0.08 -0.48 0.08 0.00 0.00 0.00 0.00 19.45 19.12 2gr9 n ALA 272 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2gr9 h ASP 273 N 1.92 0.46 0.00 0.00 3.32 -1.57 -3.42 116.42 117.13 2gr9 h ASP 273 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2gr9 h ASP 273 Cb 0.50 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2gr9 h ASP 273 CO 0.00 0.96 0.00 0.00 -1.72 0.00 0.00 179.24 178.48 2gr9 n GLN 274 N -3.91 0.00 0.00 3.56 6.02 -1.26 -5.15 117.38 116.64 2gr9 n GLN 274 Ca -0.03 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.06 2gr9 n GLN 274 Cb 0.63 0.00 0.59 0.00 1.02 0.00 0.00 30.24 32.48 2gr9 n GLN 274 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14